| CAS Number | 79360-94-4 |
| Catalog Number | AG01E18V |
| Chemical Name | Ethyl 4,4-Difluoro-5-Hydroxypentanoate |
| IUPAC Name | ethyl 4,4-difluoro-5-hydroxypentanoate |
| InChI | InChI=1S/C7H12F2O3/c1-2-12-6(11)3-4-7(8,9)5-10/h10H,2-5H2,1H3 |
| InChI Key | IAURJAZOQMEKRP-UHFFFAOYSA-N |
| MDL Number | MFCD24386315 |
| Molecular Formula | C7H12F2O3 |
| Molecular Weight | 182.1652 |
| SMILES | C(CC(=O)OCC)C(CO)(F)F |
| Synonyms | ethyl 4,4-difluoro-5-hydroxypentanoate,
79360-94-4,
SCHEMBL166315,
AKOS030524615,
WT81704,
ACN-051451,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.167g/mol |
| Monoisotopic Mass | 182.075g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number